input word = C00012166

Metabolite InformationStructural formula
Name [3aS-(3aR*,4R*,5S*,6S*,10Z,11aS*)]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 3-methyl-2-butenoic acid
Formula C24H26O9
Mw 458.15768243
CAS RN 71052-06-7
C_ID C00012166 ,
InChIKey ZPHPZNQNTXPYRH-ZSOIEALJNA-N
InChICode InChI=1S/C24H26O9/c1-11(2)7-18(27)31-21-20(32-22(28)12(3)4)19-13(5)23(29)30-16(19)8-14(10-25)15-9-17(26)24(21,6)33-15/h7-9,16,19-21,25H,3,5,10H2,1-2,4,6H3/b14-8+/t16-,19-,20-,21-,24+/m0/s1
SMILES [C@@]12([C@H]([C@H]([C@@H]3[C@H](/C=C(/C(=CC1=O)O2)\CO)OC(=O)C3=C)OC(=O)C(=C)C)OC(=O)C=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
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